2-(phenoxymethyl)-1-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]benzimidazole

Systemtic Name: 2-(phenoxymethyl)-1-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]benzimidazole Openeye Name: 2-(phenoxymethyl)-1-[[1-[(E)-styryl]sulfonyl-4-piperidyl]methyl]benzimidazole CAS Name: 2-(phenoxymethyl)-1-[[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]benzimidazole IUPAC Name: 2-(phenoxymethyl)-1-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methyl]benzimidazole Traditional Name: 2-(phenoxymethyl)-1-[[1-[(E)-styryl]sulfonyl-4-piperidyl]methyl]benzimidazole Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)S(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)S(=O)(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3S/c32-35(33,20-17-23-9-3-1-4-10-23)30-18-15-24(16-19-30)21-31-27-14-8-7-13-26(27)29-28(31)22-34-25-11-5-2-6-12-25/h1-14,17,20,24H,15-16,18-19,21-22H2/b20-17+